≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(C)CCC1=CC=CC=C1 |
|---|---|
| IUPAC Name | 3-methylbutylbenzene |
| InChIKey | XNXIYYFOYIUJIW-UHFFFAOYSA-N |
| INCHI | 1S/C11H16/c1-10(2)8-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 |
| Isomeric SMILES | CC(C)CCC1=CC=CC=C1 |
| WGK Germany | 3 |
| Molecular Weight | 148.25 |
| Beilstein | 1855610 |
| Reaxy-Rn | 1855612 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1855612&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Aromatic hydrocarbons Unsaturated hydrocarbons |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2417438 | Certificate of Analysis | Apr 16, 2024 | M158408 |
| G2417439 | Certificate of Analysis | Apr 16, 2024 | M158408 |
| G2408223 | Certificate of Analysis | Mar 20, 2024 | M158408 |
| G2408249 | Certificate of Analysis | Mar 20, 2024 | M158408 |
| G2408250 | Certificate of Analysis | Mar 20, 2024 | M158408 |
| G2408251 | Certificate of Analysis | Mar 20, 2024 | M158408 |
| Refractive Index | 1.486 |
|---|---|
| Flash Point(°F) | 149 °F |
| Flash Point(°C) | 65°C |
| Boil Point(°C) | 197 °C |
| Molecular Weight | 148.240 g/mol |
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 3 |
| Exact Mass | 148.125 Da |
| Monoisotopic Mass | 148.125 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 88.200 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
